(4R)-1-(2-methoxyphenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-(2-methoxyphenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-(2-methoxyphenyl)-4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4R)-1-(2-methoxyphenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4R)-1-(2-methoxyphenyl)-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4R)-1-(2-methoxyphenyl)-4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O3S/c1-27-19-7-3-2-6-18(19)24-14-16(13-20(24)25)21(26)23-10-8-22(9-11-23)15-17-5-4-12-28-17/h2-7,12,16H,8-11,13-15H2,1H3/p+1/t16-/m1/s1